[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine

C14H17N3 — CID 114703137

IUPAC[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1cccc2c1CCCC2
InChIInChI=1S/C14H17N3/c15-8-12-9-16-10-17(12)14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,9-10H,1-2,4,6,8,15H2
InChIKeyZBFVAPYUIZJMFX-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.21
Rot. Bonds2

About [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine

[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine (PubChem CID 114703137) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine
PubChem CID114703137
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1cccc2c1CCCC2
InChIInChI=1S/C14H17N3/c15-8-12-9-16-10-17(12)14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,9-10H,1-2,4,6,8,15H2
InChIKeyZBFVAPYUIZJMFX-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine (CID 114703137) is [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine is NCc1cncn1-c1cccc2c1CCCC2.
What is the InChIKey of [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine?
The InChIKey is ZBFVAPYUIZJMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-8-12-9-16-10-17(12)14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,9-10H,1-2,4,6,8,15H2.
What are the key properties of [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine?
[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114703137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).